1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide

C17H23N5O2 — CID 56807296

IUPAC1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NCCCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H23N5O2/c18-16(23)12-7-10-22(11-8-12)17(24)19-9-3-6-15-20-13-4-1-2-5-14(13)21-15/h1-2,4-5,12H,3,6-11H2,(H2,18,23)(H,19,24)(H,20,21)
InChIKeyYGJIXBARKVXHSN-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.40
Rot. Bonds5

About 1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide

1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide (PubChem CID 56807296) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide
PubChem CID56807296
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NCCCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H23N5O2/c18-16(23)12-7-10-22(11-8-12)17(24)19-9-3-6-15-20-13-4-1-2-5-14(13)21-15/h1-2,4-5,12H,3,6-11H2,(H2,18,23)(H,19,24)(H,20,21)
InChIKeyYGJIXBARKVXHSN-UHFFFAOYSA-N
XLogP1.40
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide (CID 56807296) is 1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)NCCCc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide?
The InChIKey is YGJIXBARKVXHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c18-16(23)12-7-10-22(11-8-12)17(24)19-9-3-6-15-20-13-4-1-2-5-14(13)21-15/h1-2,4-5,12H,3,6-11H2,(H2,18,23)(H,19,24)(H,20,21).
What are the key properties of 1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide?
1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 56807296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).